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Compound Detail

CHEMBL18104

HEPTANAL
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Basic Information

ChEMBL ID CHEMBL18104
Name HEPTANAL
Phase Preclinical
Structure Type MOL
InChI Key FXHGMKSSBGDXIY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

114.2
MW (Da)
2.16
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H14O
MW 114.19
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 1.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10995371 10.1021/jf000233+ Myzus persicae 3
22224661 10.1021/jf2044586 Meloidogyne javanica 2
7205880 10.1021/jm00133a003 Phenylethanolamine N-methyltransferase 1
19850474 10.1016/j.bmcl.2009.09.086 Fatty-acid amide hydrolase 1 1
20055406 10.1021/jf902575f Bursaphelenchus xylophilus 1
18605734 10.1021/jf800780f Bursaphelenchus xylophilus 1

Data from ChEMBL 36 via Core Engine